(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol

C15H26O2 — CID 170990830

IUPAC(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol
SMILESCC(=CCC[C@H](C)[C@@]1(O)CC=C(C)CC1)CO
InChIInChI=1S/C15H26O2/c1-12-7-9-15(17,10-8-12)14(3)6-4-5-13(2)11-16/h5,7,14,16-17H,4,6,8-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyKNGVJRHBQKQKMD-LSDHHAIUSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds5

About (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol

(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol (PubChem CID 170990830) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol
PubChem CID170990830
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol
SMILESCC(=CCC[C@H](C)[C@@]1(O)CC=C(C)CC1)CO
InChIInChI=1S/C15H26O2/c1-12-7-9-15(17,10-8-12)14(3)6-4-5-13(2)11-16/h5,7,14,16-17H,4,6,8-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyKNGVJRHBQKQKMD-LSDHHAIUSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol?
The IUPAC name of (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol (CID 170990830) is (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol?
The canonical SMILES for (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol is CC(=CCC[C@H](C)[C@@]1(O)CC=C(C)CC1)CO.
What is the InChIKey of (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol?
The InChIKey is KNGVJRHBQKQKMD-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-7-9-15(17,10-8-12)14(3)6-4-5-13(2)11-16/h5,7,14,16-17H,4,6,8-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol?
(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 170990830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).